UCSF

ZINC00267080

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 5-Amino-1-benzyl-1H-pyrazole-4-carbonitrile 5-Amino-1-benzyl-1H-pyrazole-4-c…

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CAS Numbers: 91091-13-3 , [91091-13-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 5.47 -8.78 2 4 0 68 198.229 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )